2-(methoxymethyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine

C13H12N4O — CID 47001682

IUPAC2-(methoxymethyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOCc1nc2nccc(-c3ccccc3)n2n1
InChIInChI=1S/C13H12N4O/c1-18-9-12-15-13-14-8-7-11(17(13)16-12)10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKeyGVTBKIFLFNFBEE-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.94
Rot. Bonds3

About 2-(methoxymethyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine

2-(methoxymethyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 47001682) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 2-(methoxymethyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(methoxymethyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID47001682
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name2-(methoxymethyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOCc1nc2nccc(-c3ccccc3)n2n1
InChIInChI=1S/C13H12N4O/c1-18-9-12-15-13-14-8-7-11(17(13)16-12)10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKeyGVTBKIFLFNFBEE-UHFFFAOYSA-N
XLogP1.94
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(methoxymethyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 47001682) is 2-(methoxymethyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(methoxymethyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(methoxymethyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine is COCc1nc2nccc(-c3ccccc3)n2n1.
What is the InChIKey of 2-(methoxymethyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is GVTBKIFLFNFBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-18-9-12-15-13-14-8-7-11(17(13)16-12)10-5-3-2-4-6-10/h2-8H,9H2,1H3.
What are the key properties of 2-(methoxymethyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine?
2-(methoxymethyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 240.27 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 47001682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).